2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

C19H18Cl2N2O4 — CID 4925504

IUPAC2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=C(NC(C)=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C19H18Cl2N2O4/c1-11(24)22-16(8-12-4-7-17(26-2)18(9-12)27-3)19(25)23-13-5-6-14(20)15(21)10-13/h4-10H,1-3H3,(H,22,24)(H,23,25)
InChIKeyHYSZZUDMJALLBR-UHFFFAOYSA-N
MW409.27 g/mol
LogP4.13
Rot. Bonds6

About 2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 4925504) has the molecular formula C19H18Cl2N2O4 and a molecular weight of 409.27 g/mol. Its IUPAC name is 2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
PubChem CID4925504
Molecular FormulaC19H18Cl2N2O4
Molecular Weight409.27 g/mol
Exact Mass408.06
IUPAC Name2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=C(NC(C)=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C19H18Cl2N2O4/c1-11(24)22-16(8-12-4-7-17(26-2)18(9-12)27-3)19(25)23-13-5-6-14(20)15(21)10-13/h4-10H,1-3H3,(H,22,24)(H,23,25)
InChIKeyHYSZZUDMJALLBR-UHFFFAOYSA-N
XLogP4.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 23013597
(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 6232272
[4-[2-acetamido-3-(3-acetylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 1380442
(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide
CID 6232322
2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)prop-2-enamide
CID 4925534
(E)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 30253911
ethyl 4-[[(Z)-2-acetamido-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 2272772
(E)-2-acetamido-N-[4-(2-cyclohexylethoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 17137720
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide
CID 141461725
2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 4925589
(E)-N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 54788609
N-[3-(3-acetylanilino)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1118396

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of 2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide (CID 4925504) is 2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for 2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for 2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(C=C(NC(C)=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC.
What is the InChIKey of 2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is HYSZZUDMJALLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4/c1-11(24)22-16(8-12-4-7-17(26-2)18(9-12)27-3)19(25)23-13-5-6-14(20)15(21)10-13/h4-10H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 409.27 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4925504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).